CID 59193

101952-81-2

Structural Information

Molecular Formula
C20H17NO2
SMILES
CC1=CC=CC=C1C(C2=CC=CC=C2)OC(=O)C3=CN=CC=C3
InChI
InChI=1S/C20H17NO2/c1-15-8-5-6-12-18(15)19(16-9-3-2-4-10-16)23-20(22)17-11-7-13-21-14-17/h2-14,19H,1H3
InChIKey
VPJPVYXGVKPHAJ-UHFFFAOYSA-N
Compound name
[(2-methylphenyl)-phenylmethyl] pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.12592 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.13320 171.9
[M+Na]+ 326.11514 177.6
[M-H]- 302.11864 179.7
[M+NH4]+ 321.15974 184.3
[M+K]+ 342.08908 173.0
[M+H-H2O]+ 286.12318 161.6
[M+HCOO]- 348.12412 192.6
[M+CH3COO]- 362.13977 182.5
[M+Na-2H]- 324.10059 176.1
[M]+ 303.12537 171.8
[M]- 303.12647 171.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.